N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C20H17N5O2/c1-12-3-5-15(7-13(12)2)25-20-16(9-23-25)19(21-10-22-20)24-14-4-6-17-18(8-14)27-11-26-17/h3-10H,11H2,1-2H3,(H,21,22,24)